[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H18ClNO6/c1-23-16-4-3-12(7-13(16)10-19(23)25)17(24)11-29-21(26)14-8-15(22)20-18(9-14)27-5-2-6-28-20/h3-4,7-9H,2,5-6,10-11H2,1H3